KAJIAN TEORITIS KEMAMPUAN CAPPING KATEKIN, KATEKU TANAT DAN QUARSETIN TERHADAP NANOPARTIKEL PERAK DENGAN MENGGUNAKAN METODA DFT-B
ABSTRACT: Interdiffusion
mechanism of catechin, catechutannic acid and quercetin are studied by using DFT-B
method. But before conducting these experiment, we perform molecular dynamic simulations
to find adsorption models probability of each compound. Two models adsorption
of quarcetin, four models for catechin and three models for catechutannic acid
have been obtained from molecular dynamic simulations. Quantum parameter of
each compound, energy andproperties adsorption models have been calculated and
discussed. The theoretical results were found to be consistent with the
experimental data reported. Futhermore, optimization adsorption model samples
show that all of adsorbents have weak bonds on the surface of silver nanoparticles.
The mechanism can be classified as strong physisorption, so that catechin, catechutannic
acid and quercetin can be categorized as good capping agent in synthesis of
silvernanoparticles.
Penulis: Syukri Arief,
Emriadi, dan Harry Ade Saputra
Kode Jurnal: jpkimiadd150685
